5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide

C8H12O2S — CID 20759233

IUPAC5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide
SMILESC=C1CCS(=O)(=O)C(C)=C1C
InChIInChI=1S/C8H12O2S/c1-6-4-5-11(9,10)8(3)7(6)2/h1,4-5H2,2-3H3
InChIKeyYQYVNRQOJXWPBP-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.65
Rot. Bonds

About 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide

5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide (PubChem CID 20759233) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide.

Molecular Properties

Compound Name5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide
PubChem CID20759233
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide
SMILESC=C1CCS(=O)(=O)C(C)=C1C
InChIInChI=1S/C8H12O2S/c1-6-4-5-11(9,10)8(3)7(6)2/h1,4-5H2,2-3H3
InChIKeyYQYVNRQOJXWPBP-UHFFFAOYSA-N
XLogP1.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
5-Isopropenyl-2,3-dihydrothiophene 1,1-dioxide
CID 14362067
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide
CID 5469713
2-Fluoro-1-methyl-4-methylsulfonylcyclohexa-1,3-diene
CID 148751659
3-Fluoro-2-methyl-5-methylsulfonylcyclohexa-1,3-diene
CID 163856739
1-(Difluoromethylsulfonyl)-4-methylcyclohexa-1,3-diene
CID 163903338
1,1-Dioxide-2,5-dihydro-3-methyl-2-(3-methyl-2-butenyl)thiophene
CID 14565890
7,8-Dimethyl-9-thiabicyclo[4.2.1]nona-2,4,7-triene 9,9-dioxide
CID 24209376
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 101151657

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide?
The IUPAC name of 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide (CID 20759233) is 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide.
What is the SMILES notation for 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide?
The canonical SMILES for 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide is C=C1CCS(=O)(=O)C(C)=C1C.
What is the InChIKey of 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide?
The InChIKey is YQYVNRQOJXWPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-6-4-5-11(9,10)8(3)7(6)2/h1,4-5H2,2-3H3.
What are the key properties of 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide?
5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide has a molecular weight of 172.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide is sourced from PubChem (CID 20759233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).